CID 37229

2-benzofurancarboxylic acid, 6-methoxy-3-methyl-, diethylaminoethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H23NO4
SMILES
CCN(CC)CCOC(=O)C1=C(C2=C(O1)C=C(C=C2)OC)C
InChI
InChI=1S/C17H23NO4/c1-5-18(6-2)9-10-21-17(19)16-12(3)14-8-7-13(20-4)11-15(14)22-16/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
JCPGGXNUTWKJMN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 6-methoxy-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 173.0
[M+Na]+ 328.151938 181.1
[M-H]- 304.155444 180.0
[M+NH4]+ 323.196543 190.5
[M+K]+ 344.125878 180.9
[M+H-H2O]+ 288.159980 166.1
[M+HCOO]- 350.160921 197.5
[M+CH3COO]- 364.176571 211.8
[M+Na-2H]- 326.137386 175.8
[M]+ 305.16217142 183.3
[M]- 305.16326858 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.